Geometry & MOs

Info

ID:	307389
PubChem CID:	125299760
Reduced:	O5C18H30 (1)
Stoich.:	A5B18C30 (1)
Weight, g/mol:	493.135465
ΔH_f, kcal/mol:	-246.3
Dipole, Da:	4.96
IP(EA), eV:	-10.01(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-ethyl-2,3-dihydro-1,3,4-thiadiazol-5-yl]-2-[[5-(2H-indol-3-yl)-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCCCC[C@@H](/C=C/[C@@H]1[C@@H](C[C@@H]([C@H]1C/C=C/CC(=O)O)O)O)O

DOS

IR

Vibrations