Geometry & MOs

Info

ID:	148273
PubChem CID:	53787935
Reduced:	N2O4C41H50 (1)
Stoich.:	A2B4C41D50 (1)
Weight, g/mol:	391.131425
ΔH_f, kcal/mol:	-85.63
Dipole, Da:	3.9
IP(EA), eV:	-8.66(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[5-[[(2S)-2-(acetylsulfanylmethyl)-3-(2-methylphenyl)propanoyl]amino]tetrazol-2-yl]acetate

Drug info:

PubChemData

Smile

C1C[C@H]2[C@H]3CC4=C5[C@@]2(CCN3CC6CC6O)[C@H](C1)OC5=C(C=C4)OCN(CCCCCCC7=CC=CC=C7)CC(=O)C8=CC=CC=C8

DOS

IR

Vibrations