Geometry & MOs

Info

ID:	184349
PubChem CID:	77149361
Reduced:	N3O3C15H17 (1)
Stoich.:	A3B3C15D17 (1)
Weight, g/mol:	515.242948
ΔH_f, kcal/mol:	-47.92
Dipole, Da:	4.63
IP(EA), eV:	-9.24(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-(cyclopropylmethyl)-4,4-dimethyl-N-[2-[4-(trifluoromethyl)phenyl]sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]pentanamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC2=NC(=NC(=O)C21)CN3CCCC3

DOS

IR

Vibrations