Geometry & MOs

Info

ID:	164622
PubChem CID:	74427070
Reduced:	O2N3C9H11 (2)
Stoich.:	A2B3C9D11 (2)
Weight, g/mol:	623.347155
ΔH_f, kcal/mol:	-76.34
Dipole, Da:	3.26
IP(EA), eV:	-9.15(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzhydryl-5-[2-(methylamino)propanoylamino]-6-oxo-3-(4-phenylbutanoyl)-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(COCC2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)O)N

DOS

IR

Vibrations