Geometry & MOs

Info

ID:	435576
PubChem CID:	135191853
Reduced:	SN2O3C15H22 (1)
Stoich.:	AB2C3D15E22 (1)
Weight, g/mol:	293.137556
ΔH_f, kcal/mol:	-106.74
Dipole, Da:	1.97
IP(EA), eV:	-9.1(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-(9-methyl-4-oxo-2,5-dihydro-1,3,5-benzoxadiazepin-3-yl)carbamate

Drug info:

PubChemData

Smile

C/C=C\C=C\1/C(=C)SC[C@@H](C(=O)N1)NC(=O)OC(C)(C)C

DOS

IR

Vibrations