Geometry & MOs

Info

ID:	430933
PubChem CID:	135171003
Reduced:	SO2F4N4C26H30 (1)
Stoich.:	AB2C4D4E26F30 (1)
Weight, g/mol:	422.268176
ΔH_f, kcal/mol:	-223.18
Dipole, Da:	4.8
IP(EA), eV:	-8.24(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(ethenylamino)-N-ethyl-N-[(1S,3R)-3-[(4-methoxy-3-methylphenyl)methylamino]cyclohexyl]-5-methylidenepyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C1=CC=C(C=C1)OC)NC2CCCC(C2)N(CC(F)(F)F)C(=O)C3=CC4=C(N3SF)C=CC=N4

DOS

IR

Vibrations