Geometry & MOs

Info

ID:	104578
PubChem CID:	50104650
Reduced:	O4N5C30H41 (1)
Stoich.:	A4B5C30D41 (1)
Weight, g/mol:	537.295119
ΔH_f, kcal/mol:	-173.6
Dipole, Da:	5.94
IP(EA), eV:	-8.5(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations