Geometry & MOs

Info

ID:	148403
PubChem CID:	53788065
Reduced:	PN2O2C6H16 (1)
Stoich.:	AB2C2D6E16 (1)
Weight, g/mol:	574.271069
ΔH_f, kcal/mol:	-97.6
Dipole, Da:	4.35
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.763669
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(N-carbamoyl-3-ethylanilino)-8-chloro-5-(4-methylphenyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]-N-(2-methylbutan-2-yl)acetamide

Drug info:

PubChemData

Smile

CC[P+](C(=N)CCCN)(O)O

DOS

IR

Vibrations