Geometry & MOs

Info

ID:	176750
PubChem CID:	76093423
Reduced:	NPO7C26H53 (1)
Stoich.:	ABC7D26E53 (1)
Weight, g/mol:	529.30529
ΔH_f, kcal/mol:	-407.59
Dipole, Da:	5.98
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752642
Charge, e:	0

Chem-info

IUPAC name:

5-[carbamimidoyl(ethyl)amino]-2-[(2,2-diphenylacetyl)-[1-(4-methoxyphenyl)ethyl]amino]pentanamide

Drug info:

PubChemData

Smile

CCCCCCCCC=CCCCCCCCC(=O)C(C(CO)O)OP(=O)(O)OCC[N+](C)(C)C

DOS

IR

Vibrations