Geometry & MOs

Info

ID:	110455
PubChem CID:	50325473
Reduced:	ClO4N5C30H40 (1)
Stoich.:	AB4C5D30E40 (1)
Weight, g/mol:	541.245582
ΔH_f, kcal/mol:	-185.21
Dipole, Da:	6.28
IP(EA), eV:	-8.81(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-acetamido-2-chlorophenyl)-1-[1-[2-methyl-3-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)NC(=O)C(C)C)Cl)C(=O)NC(C)C

DOS

IR

Vibrations