Geometry & MOs

Info

ID:	161568
PubChem CID:	57392016
Reduced:	O2N3C30H31 (1)
Stoich.:	A2B3C30D31 (1)
Weight, g/mol:	404.140593
ΔH_f, kcal/mol:	-4.14
Dipole, Da:	3.73
IP(EA), eV:	-8.54(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[4-[3-(acetamidomethyl)phenyl]phenyl]sulfonylamino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=CC=C1)N2CCN(CC2)C(=O)C3=C4C=CC=CC4=CC5=CC=CC=C53

DOS

IR

Vibrations