Geometry & MOs

Info

ID:	7592
PubChem CID:	73461
Reduced:	SN2O3C12H18 (2)
Stoich.:	AB2C3D12E18 (2)
Weight, g/mol:	540.207627
ΔH_f, kcal/mol:	-251.15
Dipole, Da:	1.36
IP(EA), eV:	-9.21(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4S,10S,21R)-7-ethylidene-4,21-di(propan-2-yl)-2-oxa-12,13-dithia-5,8,20,23-tetrazabicyclo[8.7.6]tricos-16-ene-3,6,9,19,22-pentone

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

CC=C1C(=O)N[C@H](C(=O)O[C@H]2CC(=O)N[C@@H](C(=O)N[C@H](CSSCCC=C2)C(=O)N1)C(C)C)C(C)C

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

CC=C1C(=O)N[C@H](C(=O)O[C@H]2CC(=O)N[C@@H](C(=O)N[C@H](CSSCCC=C2)C(=O)N1)C(C)C)C(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):