Geometry & MOs

Info

ID:	163998
PubChem CID:	74381321
Reduced:	FSCl2N2O5C19H28 (1)
Stoich.:	ABC2D2E5F19G28 (1)
Weight, g/mol:	428.182396
ΔH_f, kcal/mol:	-238.78
Dipole, Da:	2.28
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751415
Charge, e:	0

Chem-info

IUPAC name:

N-(1-amino-3-phenylpropan-2-yl)-1-(2,2,2-trifluoroethyl)-4,5-dihydropyrrolo[2,3-f]isoquinoline-2-carboxamide

Drug info:

PubChemData

Smile

C[N+](C)(C)CCCC(=O)OC(C1=CC=C(C=C1)S(=O)(=O)C)C(CF)NC(=O)C(Cl)Cl

DOS

IR

Vibrations