Geometry & MOs

Info

ID:	321093
PubChem CID:	126664737
Reduced:	SF2N4O4C30H42 (1)
Stoich.:	AB2C4D4E30F42 (1)
Weight, g/mol:	436.108437
ΔH_f, kcal/mol:	-195.86
Dipole, Da:	6.86
IP(EA), eV:	-8.05(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(3S,4S)-4-amino-1,1-dihydroxythian-3-yl]amino]-3-(3-chloro-1H-indol-2-yl)pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

COC1CCC(CC1)(C2=CC=C(C=C2)F)[C@@H](C(=O)NC3=C(C(=CC=C3)F)CC[C@H]4CN[C@@H]5CCCS(N4C5)(O)O)N

DOS

IR

Vibrations