Geometry & MOs

Info

ID:	367258
PubChem CID:	127324035
Reduced:	OSN5C18H23 (1)
Stoich.:	ABC5D18E23 (1)
Weight, g/mol:	381.151098
ΔH_f, kcal/mol:	3.27
Dipole, Da:	1.91
IP(EA), eV:	-8.61(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-thiochromen-4-yl)-5-oxo-7-phenyl-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)NC3CCSC4=CC=CC=C34

DOS

IR

Vibrations