Geometry & MOs

Info

ID:	105274
PubChem CID:	50106797
Reduced:	FO4N5C25H30 (1)
Stoich.:	AB4C5D25E30 (1)
Weight, g/mol:	536.274718
ΔH_f, kcal/mol:	-197.4
Dipole, Da:	6.66
IP(EA), eV:	-9.0(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[3-[4-(dimethylcarbamoyl)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(=CC=C3)F

DOS

IR

Vibrations