Geometry & MOs

Info

ID:	55630
PubChem CID:	17395694
Reduced:	N3O4C19H21 (1)
Stoich.:	A3B4C19D21 (1)
Weight, g/mol:	373.120861
ΔH_f, kcal/mol:	-107.6
Dipole, Da:	3.89
IP(EA), eV:	-8.73(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CN(CC1=CC2=C(C=C1)OCO2)CC(=O)NC(=O)NCC3=CC=CC=C3

DOS

IR

Vibrations