Geometry & MOs

Info

ID:	193069
PubChem CID:	78337830
Reduced:	S2N4O4C21H26 (1)
Stoich.:	A2B4C4D21E26 (1)
Weight, g/mol:	463.142659
ΔH_f, kcal/mol:	-150.84
Dipole, Da:	2.03
IP(EA), eV:	-8.78(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-1-benzyl-3-methyl-5-[2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)acetyl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)C)C)NC(=O)CSC3NC(CC(=O)N3)N

DOS

IR

Vibrations