Geometry & MOs

Info

ID:	46569
PubChem CID:	10525281
Reduced:	N2S2O4C19H20 (1)
Stoich.:	A2B2C4D19E20 (1)
Weight, g/mol:	404.267508
ΔH_f, kcal/mol:	-71.26
Dipole, Da:	4.93
IP(EA), eV:	-9.21(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(dipentylcarbamoyl)-5-(4-methylanilino)-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CC(=O)C2=C(C=CS2)S(=O)(=O)NC3=C(C(=NO3)C)C)C

DOS

IR

Vibrations