Geometry & MOs

Info

ID:	234396
PubChem CID:	92298333
Reduced:	SO2N3C18H25 (1)
Stoich.:	AB2C3D18E25 (1)
Weight, g/mol:	349.157246
ΔH_f, kcal/mol:	-68.46
Dipole, Da:	5.28
IP(EA), eV:	-8.57(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclohexylmethyl)propanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCC1CCCCC1)SC2=NC3=C(N2)C=C(C=C3)OC

DOS

IR

Vibrations