Geometry & MOs

Info

ID:	304440
PubChem CID:	124595779
Reduced:	O3N4C18H20 (1)
Stoich.:	A3B4C18D20 (1)
Weight, g/mol:	667.213441
ΔH_f, kcal/mol:	-38.59
Dipole, Da:	2.75
IP(EA), eV:	-8.42(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1,4-bis(benzenesulfonyl)-N-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]piperazine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1C=C(C(=N1)NC(=O)[C@@H]2CC3=C(C=CC(=C3)OC)OC2)C#N

DOS

IR

Vibrations