Geometry & MOs

Info

ID:	104960
PubChem CID:	50106056
Reduced:	O4N5C30H41 (1)
Stoich.:	A4B5C30D41 (1)
Weight, g/mol:	527.229932
ΔH_f, kcal/mol:	-159.89
Dipole, Da:	8.69
IP(EA), eV:	-8.58(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-acetamido-4-chlorophenyl)-1-[1-[4-(dimethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)N(C)C)C)NC(=O)C(C)C

DOS

IR

Vibrations