Geometry & MOs

Info

ID:	186421
PubChem CID:	77429702
Reduced:	NO4C16H21 (1)
Stoich.:	AB4C16D21 (1)
Weight, g/mol:	439.95001
ΔH_f, kcal/mol:	-174.48
Dipole, Da:	4.31
IP(EA), eV:	-9.43(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-bromothiophen-2-yl)sulfonylamino]-3-quinolin-3-ylpropanoic acid

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)CC(C)CC2C(=O)OC(OC2=O)(C)C

DOS

IR

Vibrations