Geometry & MOs

Info

ID:	65302
PubChem CID:	29211960
Reduced:	O4N5C27H37 (1)
Stoich.:	A4B5C27D37 (1)
Weight, g/mol:	417.208613
ΔH_f, kcal/mol:	-84.27
Dipole, Da:	7.4
IP(EA), eV:	-8.63(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-pyrrolidin-1-ylsulfonyl-N-[(Z)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CN2CCC3=NN=C(N3CC2)[C@H](CC(C)C)NC(=O)C4=CC=C(O4)COC)OC

DOS

IR

Vibrations