Geometry & MOs

Info

ID:	325676
PubChem CID:	126684439
Reduced:	NC6H9 (2)
Stoich.:	AB6C9 (2)
Weight, g/mol:	459.15764
ΔH_f, kcal/mol:	21.48
Dipole, Da:	3.94
IP(EA), eV:	-8.63(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3R)-2-ethyl-3-hydroxy-4-[4-(6-methoxy-1H-indol-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]butyl] sulfamate

Drug info:

PubChemData

Smile

CC1=NC=CC(=C1)N(C)C(=C)C(C)C

DOS

IR

Vibrations