Geometry & MOs

Info

ID:	424899
PubChem CID:	135124370
Reduced:	ClS2N4O5C29H33 (1)
Stoich.:	AB2C4D5E29F33 (1)
Weight, g/mol:	278.13789
ΔH_f, kcal/mol:	-105.1
Dipole, Da:	11.09
IP(EA), eV:	-9.4(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-(dimethylamino)-2-[2-(1-methyltriazol-4-yl)cyclopropanecarbonyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC[C@@H]1CN(S(=O)(=O)C2=CC=CC=C2O1)CC3=C(SC(=C3)C(C4=C(C5=C(C=C4)N(N=N5)CC)C)C(C)(C)C(=O)O)Cl

DOS

IR

Vibrations