Geometry & MOs

Info

ID:	38628
PubChem CID:	8137289
Reduced:	O3N4H18C20 (1)
Stoich.:	A3B4C18D20 (1)
Weight, g/mol:	349.120861
ΔH_f, kcal/mol:	4.73
Dipole, Da:	5.89
IP(EA), eV:	-9.78(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-2-[[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)[C@H](C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)N4C=NC=N4

DOS

IR

Vibrations