Geometry & MOs

Info

ID:	109881
PubChem CID:	50300642
Reduced:	ClO4N5C28H36 (1)
Stoich.:	AB4C5D28E36 (1)
Weight, g/mol:	537.295119
ΔH_f, kcal/mol:	-153.22
Dipole, Da:	3.42
IP(EA), eV:	-8.87(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[3-(dimethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-(4-methoxyanilino)-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations