Geometry & MOs

Info

ID:	276039
PubChem CID:	103820114
Reduced:	NSO4C19H23 (1)
Stoich.:	ABC4D19E23 (1)
Weight, g/mol:	361.134779
ΔH_f, kcal/mol:	-152.95
Dipole, Da:	6.36
IP(EA), eV:	-9.36(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(5-tert-butylthiophen-2-yl)-3-(phenylmethoxycarbonylamino)propanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(S1)CC(C(=O)O)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations