Geometry & MOs

Info

ID:	144148
PubChem CID:	53321225
Reduced:	ClNS2O7C21H22 (1)
Stoich.:	ABC2D7E21F22 (1)
Weight, g/mol:	379.381415
ΔH_f, kcal/mol:	-235.15
Dipole, Da:	4.13
IP(EA), eV:	-9.02(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-propan-2-yldocos-13-enamide

Drug info:

PubChemData

Smile

CS(=O)(=O)C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C2=CC(=C(C=C2)Cl)CC3=NC=C(S3)C4=CC=CO4)O)O)O

DOS

IR

Vibrations