Geometry & MOs

Info

ID:	170333
PubChem CID:	75217615
Reduced:	N3O3C12H23 (1)
Stoich.:	A3B3C12D23 (1)
Weight, g/mol:	1137.743409
ΔH_f, kcal/mol:	-147.19
Dipole, Da:	4.4
IP(EA), eV:	-9.77(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-[[6-[3-[4-[dihexadecoxyphosphoryl(difluoro)methyl]phenyl]prop-2-enoylamino]-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carbonyl]amino]pentanediamide

Drug info:

PubChemData

Smile

CCCC(=O)NCCCCC(C=O)NC(=O)CN

DOS

IR

Vibrations