Geometry & MOs

Info

ID:	178073
PubChem CID:	76272888
Reduced:	N2S2O3C25H28 (1)
Stoich.:	A2B2C3D25E28 (1)
Weight, g/mol:	481.147156
ΔH_f, kcal/mol:	-69.02
Dipole, Da:	4.83
IP(EA), eV:	-8.65(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-4-[[2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)N2CCC3=C(C2C4=CC=CS4)C=CS3

DOS

IR

Vibrations