Geometry & MOs

Info

ID:	435615
PubChem CID:	135191953
Reduced:	O2N4C25H32 (1)
Stoich.:	A2B4C25D32 (1)
Weight, g/mol:	383.115107
ΔH_f, kcal/mol:	-26.04
Dipole, Da:	3.56
IP(EA), eV:	-9.02(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(Z)-(5-methyl-7-methylsulfonyl-4-oxo-1,5-benzoxazepin-3-ylidene)amino]carbamate

Drug info:

PubChemData

Smile

CCCC/C(=N\N=C(/C)\CC1CC=CC=C1)/C(=O)N[C@H]2CCC3=CC=CC=C3NC2=O

DOS

IR

Vibrations