Geometry & MOs

Info

ID:	420167
PubChem CID:	135111585
Reduced:	SO2N3C20H23 (1)
Stoich.:	AB2C3D20E23 (1)
Weight, g/mol:	385.120861
ΔH_f, kcal/mol:	-13.28
Dipole, Da:	1.37
IP(EA), eV:	-7.87(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C=C(C=C2OC)OC)NCCC3=NC4=C(S3)CCC4

DOS

IR

Vibrations