Geometry & MOs

Info

ID:	348266
PubChem CID:	127273331
Reduced:	ClFSO2N3H17C18 (1)
Stoich.:	ABCD2E3F17G18 (1)
Weight, g/mol:	387.161663
ΔH_f, kcal/mol:	-55.75
Dipole, Da:	2.81
IP(EA), eV:	-9.34(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CC1C2=NC(=CS2)C(=O)N3CCN(CC3)C(=O)C4=C(C=C(C=C4)Cl)F

DOS

IR

Vibrations