Geometry & MOs

Info

ID:	122197
PubChem CID:	50797764
Reduced:	SN2O2C21H24 (1)
Stoich.:	AB2C2D21E24 (1)
Weight, g/mol:	519.22704
ΔH_f, kcal/mol:	-55.79
Dipole, Da:	2.61
IP(EA), eV:	-8.43(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxyphenyl)-9-(4-methoxyphenyl)-5-methyl-3-phenyl-1,3,4,8-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraene-8-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N2CCC(C2=O)C(=O)NCC3=CC=C(C=C3)SC

DOS

IR

Vibrations