Geometry & MOs

Info

ID:	135042
PubChem CID:	51802549
Reduced:	N2O2C29H40 (1)
Stoich.:	A2B2C29D40 (1)
Weight, g/mol:	486.218843
ΔH_f, kcal/mol:	-79.41
Dipole, Da:	5.18
IP(EA), eV:	-8.98(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-N-[(E,2S)-1-[(4-methylphenyl)sulfonylmethylamino]-1-oxohept-3-en-2-yl]-N-propylbenzamide

Drug info:

PubChemData

Smile

CCCN([C@H](C(CC)CC)C(=O)NC(C)(C)C)C(=O)/C(=C/C1=CC=CC=C1)/C2=CC=CC=C2

DOS

IR

Vibrations