Geometry & MOs

Info

ID:	95603
PubChem CID:	50010621
Reduced:	ClO4N5C31H34 (1)
Stoich.:	AB4C5D31E34 (1)
Weight, g/mol:	509.263819
ΔH_f, kcal/mol:	-122.08
Dipole, Da:	12.62
IP(EA), eV:	-8.55(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-acetamido-4-methoxyphenyl)-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)NC(=O)C4=CC=CC=C4Cl

DOS

IR

Vibrations