Geometry & MOs

Info

ID:	191196
PubChem CID:	78116924
Reduced:	PCl2N5O5C38H48 (1)
Stoich.:	AB2C5D5E38F48 (1)
Weight, g/mol:	380.170922
ΔH_f, kcal/mol:	-258.26
Dipole, Da:	6.59
IP(EA), eV:	-9.09(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1-amino-1-oxobutan-2-yl)amino]-3-[(1-phenylpyrazol-4-yl)amino]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CN(C(=O)NC1=O)C2CN(CC(O2)COP(=O)(N3CCC(CC3)N4CCCC4)Cl)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7.Cl

DOS

IR

Vibrations