Geometry & MOs

Info

ID:	43960
PubChem CID:	10322464
Reduced:	SN8C16H24 (1)
Stoich.:	AB8C16D24 (1)
Weight, g/mol:	469.12269
ΔH_f, kcal/mol:	97.05
Dipole, Da:	4.81
IP(EA), eV:	-8.49(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[(5S)-5-(4-chlorophenyl)-2-methyl-1,5-dihydro-2,4-benzodiazepin-3-yl]oxymethyl]phenyl]methanesulfonamide

Drug info:

PubChemData

Smile

CN1C(=NC(=N1)N)NCCSCC2=CC3=C(C=C2)N=C(N3)CN(C)C

DOS

IR

Vibrations