Geometry & MOs

Info

ID:	49300
PubChem CID:	11532725
Reduced:	S2N3O5C21H23 (1)
Stoich.:	A2B3C5D21E23 (1)
Weight, g/mol:	462.179087
ΔH_f, kcal/mol:	-134.86
Dipole, Da:	9.75
IP(EA), eV:	-8.51(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(CNC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)N=C(S3)NC(=O)C4CC4)O

DOS

IR

Vibrations