Geometry & MOs

Info

ID:	95616
PubChem CID:	50010738
Reduced:	BrO4N5C25H30 (1)
Stoich.:	AB4C5D25E30 (1)
Weight, g/mol:	581.276883
ΔH_f, kcal/mol:	-142.48
Dipole, Da:	7.34
IP(EA), eV:	-8.9(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-chloro-2-(cyclohexylcarbamoyl)phenyl]-1-[1-[2-methyl-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)Br)C(=O)N

DOS

IR

Vibrations