Geometry & MOs

Info

ID:	39622
PubChem CID:	8141676
Reduced:	ClFO2S2N3H11C16 (1)
Stoich.:	ABC2D2E3F11G16 (1)
Weight, g/mol:	394.057648
ΔH_f, kcal/mol:	-37.17
Dipole, Da:	5.85
IP(EA), eV:	-8.76(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,7R)-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-hydroxyadamantane-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)C(=O)NCC(=O)NC2=NC(=CS2)C3=CC=C(S3)Cl

DOS

IR

Vibrations