Geometry & MOs

Info

ID:	44794
PubChem CID:	10505975
Reduced:	SN2O5H26C29 (1)
Stoich.:	AB2C5D26E29 (1)
Weight, g/mol:	514.258006
ΔH_f, kcal/mol:	-96.37
Dipole, Da:	4.77
IP(EA), eV:	-9.32(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-methyl-N-[3-[[2-oxo-3-(phenylcarbamoylamino)-4,5-dihydro-3H-1-benzazepin-1-yl]methyl]phenyl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)NCC(=O)CNS(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

DOS

IR

Vibrations