Geometry & MOs

Info

ID:	438558
PubChem CID:	135228301
Reduced:	SN4O4C14H24 (1)
Stoich.:	AB4C4D14E24 (1)
Weight, g/mol:	441.193153
ΔH_f, kcal/mol:	-148.84
Dipole, Da:	4.09
IP(EA), eV:	-8.66(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1E)-1-[10-chloro-7-ethenyl-3-(methoxymethyl)-5H-[1,2,4]triazolo[4,3-d][1,4]benzodiazepin-6-ylidene]ethyl]-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazole

Drug info:

PubChemData

Smile

CC(C(=O)NC1(CC1=O)CSC)NC(=O)CN(C)C(=O)CCN

DOS

IR

Vibrations