Geometry & MOs

Info

ID:	34418
PubChem CID:	7968631
Reduced:	SN2O4C18H20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	407.108582
ΔH_f, kcal/mol:	-123.92
Dipole, Da:	3.53
IP(EA), eV:	-8.85(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)COC(=O)CC2=CSC=C2

DOS

IR

Vibrations