Geometry & MOs

Info

ID:	105260
PubChem CID:	50106773
Reduced:	O5N6C26H32 (1)
Stoich.:	A5B6C26D32 (1)
Weight, g/mol:	556.220096
ΔH_f, kcal/mol:	-189.99
Dipole, Da:	9.19
IP(EA), eV:	-8.97(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[3-[4-chloro-3-(methylcarbamoyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC=C(C=C3)C(=O)N

DOS

IR

Vibrations