Geometry & MOs

Info

ID:	44883
PubChem CID:	10506347
Reduced:	N2S2O5C27H32 (1)
Stoich.:	A2B2C5D27E32 (1)
Weight, g/mol:	528.277678
ΔH_f, kcal/mol:	-124.62
Dipole, Da:	5.14
IP(EA), eV:	-9.26(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(5,7,7,10,10-pentamethyl-2-phenyl-8,9-dihydronaphtho[2,3-b][1,5]benzodiazepin-12-yl)benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC=C)C2CC(C=C2)N(C3CC(C=C3)O)S(=O)(=O)C4=CC=C(C=C4)C

DOS

IR

Vibrations