Geometry & MOs

Info

ID:	277524
PubChem CID:	103829203
Reduced:	O2N3C18H29 (1)
Stoich.:	A2B3C18D29 (1)
Weight, g/mol:	382.98269
ΔH_f, kcal/mol:	-100.21
Dipole, Da:	3.47
IP(EA), eV:	-8.2(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromothiophen-2-yl)-2-[methyl(phenylmethoxycarbonyl)amino]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC2CCN(C2)C(=O)OC(C)(C)C)N(C)C

DOS

IR

Vibrations