Geometry & MOs

Info

ID:	264109
PubChem CID:	103429178
Reduced:	NSO3C16H17 (1)
Stoich.:	ABC3D16E17 (1)
Weight, g/mol:	366.98778
ΔH_f, kcal/mol:	-103.0
Dipole, Da:	3.56
IP(EA), eV:	-8.83(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-bromothiophen-2-yl)methylcarbamoyl]-3,6-dimethylbenzoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)C)C(=O)O)C(=O)NCC2=CSC=C2C

DOS

IR

Vibrations