Geometry & MOs

Info

ID:	442438
PubChem CID:	135252046
Reduced:	ON7H25C32 (1)
Stoich.:	AB7C25D32 (1)
Weight, g/mol:	581.186353
ΔH_f, kcal/mol:	183.46
Dipole, Da:	9.3
IP(EA), eV:	-8.43(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(3R)-3-[[4-[1-(benzenesulfonyl)indol-3-yl]-5-chloropyrimidin-2-yl]amino]cyclohexyl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(NC2=CN=CC(=C2)C3=CC\4=C(C=C3)NN/C4=C\5/C=C6C(=CC=NC6=N5)C7=CC=NC=C7)O

DOS

IR

Vibrations