Geometry & MOs

Info

ID:	446967
PubChem CID:	135279165
Reduced:	N2O5C31H38 (1)
Stoich.:	A2B5C31D38 (1)
Weight, g/mol:	540.288912
ΔH_f, kcal/mol:	-84.44
Dipole, Da:	4.68
IP(EA), eV:	-8.52(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-N-methyl-2-(methylideneamino)-4,5-diphenyl-1-(2-phenylethyl)pyrrole-3-carboximidamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCCCCCC2=NOC(=C2)CCC3=CC=C(C=C3)OCCOCCC4=NOC(=C4)C

DOS

IR

Vibrations