Geometry & MOs

Info

ID:	178726
PubChem CID:	76372953
Reduced:	SO4N5H25C26 (1)
Stoich.:	AB4C5D25E26 (1)
Weight, g/mol:	435.194026
ΔH_f, kcal/mol:	-59.62
Dipole, Da:	4.37
IP(EA), eV:	-9.47(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-methyl-1-[[4-methyl-1-oxo-1-[(2-oxothietan-3-yl)amino]pentan-2-yl]amino]-1-oxopentan-2-yl]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

C1C(C(=O)S1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CC=CC=C3)NC(=O)C4=NC=CN=C4

DOS

IR

Vibrations