Geometry & MOs

Info

ID:	163265
PubChem CID:	57673749
Reduced:	SP3N7O18C30H48 (1)
Stoich.:	AB3C7D18E30F48 (1)
Weight, g/mol:	369.248791
ΔH_f, kcal/mol:	-950.24
Dipole, Da:	6.91
IP(EA), eV:	-9.24(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-(2-cyclopropylethynyl)aniline

Drug info:

PubChemData

Smile

CCC=CCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)(C)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O

DOS

IR

Vibrations