Geometry & MOs

Info

ID:	298276
PubChem CID:	117648210
Reduced:	N2O3C15H24 (1)
Stoich.:	A2B3C15D24 (1)
Weight, g/mol:	595.301936
ΔH_f, kcal/mol:	-141.23
Dipole, Da:	2.42
IP(EA), eV:	-8.68(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1S,2S,3S)-2-[[5-cyano-6-[[6-methyl-5-(triazol-2-yl)pyridin-3-yl]amino]pyridin-2-yl]amino]-3-phenylmethoxycyclohexyl]carbamate

Drug info:

PubChemData

Smile

C[C@@H]([C@@H](C1=CC=C(C=C1)OC)N)NC(=O)OC(C)(C)C

DOS

IR

Vibrations