Geometry & MOs

Info

ID:

166021

PubChem CID:

74627175

Reduced:

SO2N4C19H23 (1)

Stoich.:

AB2C4D19E23 (1)

Weight, g/mol:

373.115679

ΔHf, kcal/mol:

2.05

Dipole, Da:

2.13

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.985167

Charge, e:

 1

Chem-info

IUPAC name:

dimethyl-[2-[(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)amino]-1-thiophen-3-ylethyl]azanium

Drug info:

PubChemData

Smile

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)NCC(C3=CSC=C3)[NH+](C)C

DOS

IR

Vibrations