Geometry & MOs

Info

ID:	138017
PubChem CID:	52300525
Reduced:	N2O2C20H27 (1)
Stoich.:	A2B2C20D27 (1)
Weight, g/mol:	435.136511
ΔH_f, kcal/mol:	-26.56
Dipole, Da:	3.43
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753062
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(=O)NCC2=CC=C(C=C2)OCC[NH+](C)C

DOS

IR

Vibrations