Geometry & MOs

Info

ID:	276038
PubChem CID:	103820113
Reduced:	NSO4C16H25 (1)
Stoich.:	ABC4D16E25 (1)
Weight, g/mol:	361.134779
ΔH_f, kcal/mol:	-205.65
Dipole, Da:	5.14
IP(EA), eV:	-9.1(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(S1)CC(C(=O)O)NC(=O)OC(C)(C)C

DOS

IR

Vibrations