Geometry & MOs

Info

ID:	108986
PubChem CID:	50267110
Reduced:	O4N5C34H39 (1)
Stoich.:	A4B5C34D39 (1)
Weight, g/mol:	541.268905
ΔH_f, kcal/mol:	-116.81
Dipole, Da:	4.11
IP(EA), eV:	-8.74(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-carbamoyl-2-methylphenyl)-1-[1-[2-methyl-4-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=CC(=C4)C(=O)N5CCCC5

DOS

IR

Vibrations