Geometry & MOs

Info

ID:	321221
PubChem CID:	126665390
Reduced:	SCl2O2N5C14H20 (1)
Stoich.:	AB2C2D5E14F20 (1)
Weight, g/mol:	393.079301
ΔH_f, kcal/mol:	-28.31
Dipole, Da:	7.16
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.765765
Charge, e:	0

Chem-info

IUPAC name:

5-[(2,5-dichloro-1-cyclopropyl-2H-pyrimidin-4-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-sulfonamide

Drug info:

PubChemData

Smile

C1CC1[N+]2(CC3CC(CC3C2)NC4=NC(=NC=C4Cl)Cl)S(=O)(=O)N

DOS

IR

Vibrations