Geometry & MOs

Info

ID:	86426
PubChem CID:	49885423
Reduced:	S2O3N5C21H23 (1)
Stoich.:	A2B3C5D21E23 (1)
Weight, g/mol:	458.119481
ΔH_f, kcal/mol:	-1.3
Dipole, Da:	3.53
IP(EA), eV:	-8.88(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide

Drug info:

PubChemData

Smile

CC1C(OC2=CC=CC=C2O1)C3=NN=C(N3CC=C)SC(C)C(=O)NC4=NC(=CS4)C

DOS

IR

Vibrations