Geometry & MOs

Info

ID:	191780
PubChem CID:	78187825
Reduced:	SSiN4O9C22H35 (1)
Stoich.:	ABC4D9E22F35 (1)
Weight, g/mol:	622.279135
ΔH_f, kcal/mol:	-397.85
Dipole, Da:	5.91
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.897041
Charge, e:	0

Chem-info

IUPAC name:

2-acetamido-N-[5-[(2-acetamidobenzoyl)amino]-3,4-dihydroxy-1,6-diphenylhexan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC1C(OC(C12C(=CS(=O)(=O)O2)N)COC(=O)N(C)C)[N+]3=CC(=C)C(=O)N(C3=O)C

DOS

IR

Vibrations