Geometry & MOs

Info

ID:	348124
PubChem CID:	127273186
Reduced:	ON5C19H25 (1)
Stoich.:	AB5C19D25 (1)
Weight, g/mol:	335.105211
ΔH_f, kcal/mol:	15.71
Dipole, Da:	8.31
IP(EA), eV:	-8.75(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,1-dioxothiolan-3-yl)-1-methyl-3-[4-(triazol-1-yl)phenyl]urea

Drug info:

PubChemData

Smile

CC1(CC2CC(C1)(CN2C(=O)NC3=CC=C(C=C3)N4C=CN=N4)C)C

DOS

IR

Vibrations