Geometry & MOs

Info

ID:	191846
PubChem CID:	78194131
Reduced:	O3N4C16H18 (1)
Stoich.:	A3B4C16D18 (1)
Weight, g/mol:	417.248838
ΔH_f, kcal/mol:	-40.86
Dipole, Da:	8.65
IP(EA), eV:	-8.51(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-(2-amino-3-phenylpropanoyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)CCC2=CC3C(=NC(=NC3=O)N)N2

DOS

IR

Vibrations