Geometry & MOs

Info

ID:	173470
PubChem CID:	75642153
Reduced:	O3N5C20H29 (1)
Stoich.:	A3B5C20D29 (1)
Weight, g/mol:	380.052801
ΔH_f, kcal/mol:	-95.25
Dipole, Da:	2.23
IP(EA), eV:	-9.01(0.12)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(1,3-dimethyl-2,4-dioxo-1,3-diazinan-5-yl)sulfonyl-[4-(trifluoromethoxy)phenyl]azanide

Drug info:

PubChemData

Smile

CCOCCN1C(=O)C2C(NC3N2CC(CN3C4=CC=CC=C4)C)N(C1=O)C

DOS

IR

Vibrations