Geometry & MOs

Info

ID:	155626
PubChem CID:	56366405
Reduced:	SO3N4H22C23 (1)
Stoich.:	AB3C4D22E23 (1)
Weight, g/mol:	382.200491
ΔH_f, kcal/mol:	-44.95
Dipole, Da:	5.46
IP(EA), eV:	-8.64(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-tert-butyl-1-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]benzene-1,4-dicarboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(C(CC2=O)C(=O)NCC(=O)NC3=CN=CC=C3)C4=CC=CS4

DOS

IR

Vibrations