Geometry & MOs

Info

ID:	304731
PubChem CID:	124766105
Reduced:	N2O4H24C27 (1)
Stoich.:	A2B4C24D27 (1)
Weight, g/mol:	514.199839
ΔH_f, kcal/mol:	-70.1
Dipole, Da:	4.04
IP(EA), eV:	-9.17(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]-2-thiophen-2-ylacetamide

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=CC=CC=C1[C@@H]2[C@H]3[C@@H](C(=O)N(C3=O)C4=CC=CC=C4)[C@](N2)(C5=CC=CC=C5)C(=O)OC

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=CC=CC=C1[C@@H]2[C@H]3[C@@H](C(=O)N(C3=O)C4=CC=CC=C4)[C@](N2)(C5=CC=CC=C5)C(=O)OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):