Geometry & MOs

Info

ID:	156681
PubChem CID:	56371680
Reduced:	ClOS2N5H18C19 (1)
Stoich.:	ABC2D5E18F19 (1)
Weight, g/mol:	458.144633
ΔH_f, kcal/mol:	48.74
Dipole, Da:	6.91
IP(EA), eV:	-8.81(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-methyl-2-[[2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-5-phenylthiophene-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)C1=NN=C(N1C)SCC2=NC3=C(C(=CS3)C4=CC=CC=C4Cl)C(=O)N2

DOS

IR

Vibrations