Geometry & MOs

Info

ID:	19400
PubChem CID:	563042
Reduced:	SN4O7C18H22 (1)
Stoich.:	AB4C7D18E22 (1)
Weight, g/mol:	438.12092
ΔH_f, kcal/mol:	-230.16
Dipole, Da:	5.08
IP(EA), eV:	-10.3(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3-carbamoyl-1,2,4-triazol-1-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OCC2C3C(C(O2)N4C=NC(=N4)C(=O)N)OC(O3)(C)C

DOS

IR

Vibrations