Geometry & MOs

Info

ID:	213183
PubChem CID:	81063130
Reduced:	N2S2O3C14H16 (1)
Stoich.:	A2B2C3D14E16 (1)
Weight, g/mol:	252.12224
ΔH_f, kcal/mol:	-88.68
Dipole, Da:	2.6
IP(EA), eV:	-9.14(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-cyclopropyl-1H-1,2,4-triazole-3-carbonyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CSC=C2)C(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations