Geometry & MOs

Info

ID:	194352
PubChem CID:	78521361
Reduced:	SN3O3C23H32 (1)
Stoich.:	AB3C3D23E32 (1)
Weight, g/mol:	351.147058
ΔH_f, kcal/mol:	-91.92
Dipole, Da:	11.57
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755545
Charge, e:	0

Chem-info

IUPAC name:

[1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl] 4-formylbenzoate

Drug info:

PubChemData

Smile

CC(C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)N3C(=O)CSC3=CC(=O)C(C)(C)C

DOS

IR

Vibrations