Geometry & MOs

Info

ID:	186312
PubChem CID:	77419184
Reduced:	S2N5O5C31H39 (1)
Stoich.:	A2B5C5D31E39 (1)
Weight, g/mol:	395.144533
ΔH_f, kcal/mol:	-157.64
Dipole, Da:	5.59
IP(EA), eV:	-8.79(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(2,4-difluorophenyl)-N-[(3-methoxyphenyl)methyl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)NC1=CC(=CC(=C1)C(=O)N2CCCC2C3=NC(=CS3)C)C(=O)NC(CC4=CC=CC=C4)C(C5CCCN5)O

DOS

IR

Vibrations