Geometry & MOs

Info

ID:	185685
PubChem CID:	77332679
Reduced:	N2O5C36H49 (1)
Stoich.:	A2B5C36D49 (1)
Weight, g/mol:	614.1868
ΔH_f, kcal/mol:	-176.31
Dipole, Da:	5.97
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751377
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-(2-amino-4-methylpentanoyl)-N-[1-bis(4-chlorophenyl)phosphanyl-4-methyl-1-oxopentan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(=O)OC1=CC=CC(=C1)C23CC[N+](CC2(CCC(C3)NC(=O)CCCCCC4=CC=CC=C4)OC(=O)C)(C)CC5CC5

DOS

IR

Vibrations