Geometry & MOs

Info

ID:	34493
PubChem CID:	7978544
Reduced:	ClN4O4C14H21 (1)
Stoich.:	AB4C4D14E21 (1)
Weight, g/mol:	424.203193
ΔH_f, kcal/mol:	-167.86
Dipole, Da:	2.23
IP(EA), eV:	-9.68(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclohexyl-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)butanamide

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)C(=O)OCC(=O)NC(=O)NCC)Cl

DOS

IR

Vibrations