Geometry & MOs

Info

ID:	447624
PubChem CID:	135284308
Reduced:	OF2N3H7C8 (2)
Stoich.:	AB2C3D7E8 (2)
Weight, g/mol:	648.168797
ΔH_f, kcal/mol:	-184.85
Dipole, Da:	3.21
IP(EA), eV:	-9.38(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-N-[(2,4-dimethoxyphenyl)methyl]-N-(1,2,4-thiadiazol-5-yl)-4-[(4,4,4-trifluoro-1-phenylbutyl)amino]-3,4-dihydro-2H-chromene-7-sulfonamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(F)(F)F)C(=O)C2=CN(N=C2)C3=NC(=O)N4C(=CC=C4F)N3

DOS

IR

Vibrations