Geometry & MOs

Info

ID:	302860
PubChem CID:	124397725
Reduced:	SN2O3C18H18 (1)
Stoich.:	AB2C3D18E18 (1)
Weight, g/mol:	251.115758
ΔH_f, kcal/mol:	-83.21
Dipole, Da:	2.64
IP(EA), eV:	-8.89(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-2-methyl-3-(phenylmethoxycarbonylamino)butanoic acid

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)CCOC2=CC=C(C=C2)C[C@@H]3C(=O)NC(=O)S3

DOS

IR

Vibrations