Geometry & MOs

Info

ID:	70553
PubChem CID:	48413503
Reduced:	SO2N3C21H31 (1)
Stoich.:	AB2C3D21E31 (1)
Weight, g/mol:	402.263091
ΔH_f, kcal/mol:	-61.89
Dipole, Da:	3.26
IP(EA), eV:	-8.53(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[5-(diethylamino)pentan-2-ylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide

Drug info:

PubChemData

Smile

CCN(CC)CCCC(C)NC(=O)C1=CC=C(C=C1)OCC2=CSC(=N2)C

DOS

IR

Vibrations