Geometry & MOs

Info

ID:	120088
PubChem CID:	50713352
Reduced:	ClSO4N7C27H30 (1)
Stoich.:	ABC4D7E27F30 (1)
Weight, g/mol:	637.22226
ΔH_f, kcal/mol:	-92.75
Dipole, Da:	9.15
IP(EA), eV:	-8.86(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-benzamido-2-chlorophenyl)-1-[1-[2-chloro-5-(diethylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(S1)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4)Cl

DOS

IR

Vibrations