Geometry & MOs

Info

ID:	65328
PubChem CID:	29214670
Reduced:	SN3O3C20H29 (1)
Stoich.:	AB3C3D20E29 (1)
Weight, g/mol:	488.188212
ΔH_f, kcal/mol:	-80.95
Dipole, Da:	6.63
IP(EA), eV:	-8.73(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-methoxy-N-methyl-3-(naphthalen-2-ylmethyl)-7-oxo-N-(1,3-thiazol-2-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C(S1)CN2CCN([C@H](C2)CCO)CC3=CC(=CC(=C3)OC)OC

DOS

IR

Vibrations