Geometry & MOs

Info

ID:	390915
PubChem CID:	135001559
Reduced:	SF2N3O7C28H33 (1)
Stoich.:	AB2C3D7E28F33 (1)
Weight, g/mol:	211.14331
ΔH_f, kcal/mol:	-325.24
Dipole, Da:	6.26
IP(EA), eV:	-9.44(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3R,4S)-3-amino-4-azido-N,N-dimethylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC[C@H]1[C@H](NCC1OC2=NC3=C(C=CC(=C3)OC)N=C2C(CC=C)(F)F)C(=O)OC.CC1=CC=C(C=C1)S(=O)(=O)O

DOS

IR

Vibrations