Geometry & MOs

Info

ID:	49226
PubChem CID:	11532104
Reduced:	SN2O5H16C23 (1)
Stoich.:	AB2C5D16E23 (1)
Weight, g/mol:	432.168522
ΔH_f, kcal/mol:	-106.56
Dipole, Da:	12.52
IP(EA), eV:	-8.78(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[3-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]benzoyl]amino]-2-phenylacetic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC2=NC(=CS2)C3=CC(=C(C=C3)O)C(=O)O)C4=CC=C(C=C4)C(=O)O

DOS

IR

Vibrations