Geometry & MOs

Info

ID:	237553
PubChem CID:	92719727
Reduced:	N3O3C28H35 (1)
Stoich.:	A3B3C28D35 (1)
Weight, g/mol:	393.205242
ΔH_f, kcal/mol:	-90.14
Dipole, Da:	6.06
IP(EA), eV:	-8.6(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-6-(furan-2-yl)-9,9-dimethyl-7-oxo-N-propyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepine-5-carboxamide

Drug info:

PubChemData

Smile

CCOCCCNC(=O)N1[C@H](C2=C(CC(CC2=O)(C)C)NC3=CC=CC=C31)C4=CC=C(C=C4)C

DOS

IR

Vibrations