Geometry & MOs

Info

ID:	194223
PubChem CID:	78501045
Reduced:	SN2O2C25H34 (1)
Stoich.:	AB2C2D25E34 (1)
Weight, g/mol:	390.115047
ΔH_f, kcal/mol:	-88.98
Dipole, Da:	9.14
IP(EA), eV:	-9.05(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(benzylcarbamoyl)-2-(9bH-perimidin-2-ylsulfanyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C(C)C)C(=CC(=O)O2)CSC3NC4CCCC5C4C(N3)CCC5

DOS

IR

Vibrations