Geometry & MOs

Info

ID:	135509
PubChem CID:	51883091
Reduced:	OSN4C25H29 (1)
Stoich.:	ABC4D25E29 (1)
Weight, g/mol:	380.176979
ΔH_f, kcal/mol:	77.57
Dipole, Da:	12.72
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.076537
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-[(1S,2R)-2-methylcyclohexyl]acetamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)C1=CC2=C(CCC2)C=C1)SC3=NN=C(N3C4=CC=CC=C4)C[NH+]5CCCC5

DOS

IR

Vibrations