Geometry & MOs

Info

ID:	179825
PubChem CID:	76537428
Reduced:	Cl3N4O5C33H37 (1)
Stoich.:	A3B4C5D33E37 (1)
Weight, g/mol:	482.254574
ΔH_f, kcal/mol:	-136.62
Dipole, Da:	4.58
IP(EA), eV:	-8.96(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-[(3-diethoxyphosphoryl-1-phenylprop-2-enyl)amino]-4-methyl-1-oxopentan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Cl)OCCOC2=NC=C(C=C2)N3C(CNCC3=O)C(=O)N(CC4=C(C=CC(=C4)CCCOC)Cl)C5CC5)Cl

DOS

IR

Vibrations