Geometry & MOs

Info

ID:	443512
PubChem CID:	135259228
Reduced:	SO2N5H17C19 (1)
Stoich.:	AB2C5D17E19 (1)
Weight, g/mol:	539.195088
ΔH_f, kcal/mol:	12.15
Dipole, Da:	3.16
IP(EA), eV:	-9.0(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-[4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]thieno[2,3-d]pyrimidine-6-carbonyl]azetidin-3-yl]carbamate

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)N=CN=C2NC3=CC(=C4C(=O)NC5(N4C3=O)CSC5)C

DOS

IR

Vibrations