Geometry & MOs

Info

ID:	206294
PubChem CID:	80226537
Reduced:	N3O4C14H23 (1)
Stoich.:	A3B4C14D23 (1)
Weight, g/mol:	388.93911
ΔH_f, kcal/mol:	-187.11
Dipole, Da:	6.22
IP(EA), eV:	-9.37(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-2-phenylacetic acid

Drug info:

PubChemData

Smile

CC1(C(=O)N(CCN1C(=O)N2CCCC2(C)C(=O)O)C)C

DOS

IR

Vibrations