Geometry & MOs

Info

ID:	219553
PubChem CID:	85149178
Reduced:	ICl2O2N5H18C21 (1)
Stoich.:	AB2C2D5E18F21 (1)
Weight, g/mol:	568.203193
ΔH_f, kcal/mol:	24.78
Dipole, Da:	12.24
IP(EA), eV:	-8.77(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl N-[1-[[1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)I)C2C(NC(=C3C(=CC(=O)C=C3Cl)Cl)N2)C4=NC(=NC=C4)NCCO

DOS

IR

Vibrations