Geometry & MOs

Info

ID:	177936
PubChem CID:	76254268
Reduced:	S2N3O3C17H23 (1)
Stoich.:	A2B3C3D17E23 (1)
Weight, g/mol:	479.264488
ΔH_f, kcal/mol:	-75.01
Dipole, Da:	7.25
IP(EA), eV:	-9.23(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-amino-1-butyl-2,4-dioxo-1,3-diazinan-5-yl)-methylamino]-N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)acetamide

Drug info:

PubChemData

Smile

COCCCCNC(=O)CSCC1=NC(=O)C2C3=C(CCC3)SC2=N1

DOS

IR

Vibrations