Geometry & MOs

Info

ID:	427553
PubChem CID:	135159798
Reduced:	SO2N4C8H14 (1)
Stoich.:	AB2C4D8E14 (1)
Weight, g/mol:	479.143882
ΔH_f, kcal/mol:	-49.76
Dipole, Da:	3.39
IP(EA), eV:	-8.35(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R,6S)-3-(2,4-difluorophenyl)-1-(4,5-dihydro-3H-azepin-2-yl)-6-(sulfamoylamino)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C2C[C@@H](CN2C=NC1)NS(=O)(=O)N

DOS

IR

Vibrations