Geometry & MOs

Info

ID:	134625
PubChem CID:	51729158
Reduced:	SN4O4C19H30 (1)
Stoich.:	AB4C4D19E30 (1)
Weight, g/mol:	324.054466
ΔH_f, kcal/mol:	-96.71
Dipole, Da:	9.16
IP(EA), eV:	-9.14(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-2,2-dichloro-1-methyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H](CN(C1)CCNC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCC3)C

DOS

IR

Vibrations