Geometry & MOs

Info

ID:	104814
PubChem CID:	50105687
Reduced:	O4N5C28H37 (1)
Stoich.:	A4B5C28D37 (1)
Weight, g/mol:	589.245582
ΔH_f, kcal/mol:	-156.24
Dipole, Da:	4.06
IP(EA), eV:	-8.44(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(3-chlorobenzoyl)amino]phenyl]-1-[1-[4-(dimethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)N(C)C)C

DOS

IR

Vibrations