Geometry & MOs

Info

ID:	232902
PubChem CID:	87577534
Reduced:	N3S3O9C21H23 (1)
Stoich.:	A3B3C9D21E23 (1)
Weight, g/mol:	376.177837
ΔH_f, kcal/mol:	-330.73
Dipole, Da:	6.77
IP(EA), eV:	-9.14(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-amino-4-chloro-7-[(1,6,6-trimethyl-5,7-dihydro-4H-indazol-3-yl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]methanol

Drug info:

PubChemData

Smile

CC1=C(C(=O)OC2=C1C=CC(=C2)N)N(C(=O)C)C(CC(CC(=O)S)S)(N3C(=O)CCC3=O)S(=O)(=O)O

DOS

IR

Vibrations