Geometry & MOs

Info

ID:

176862

PubChem CID:

76106139

Reduced:

O4N5C30H41 (1)

Stoich.:

A4B5C30D41 (1)

Weight, g/mol:

662.198125

ΔHf, kcal/mol:

-158.36

Dipole, Da:

8.88

IP(EA), eV:

 -9.34(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[2-[[2-amino-3-[4-(phenylmethoxycarbonylamino)phenyl]propanoyl]amino]-3-methylbutanoyl]-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N=C(C1=CC=C(C2=CC=CC=C21)CNC(=O)C3(CCCN3C(=O)CN)C4CCCCC4)N

DOS

IR

Vibrations