Geometry & MOs

Info

ID:	435634
PubChem CID:	135192006
Reduced:	N3O6C24H25 (1)
Stoich.:	A3B6C24D25 (1)
Weight, g/mol:	342.102728
ΔH_f, kcal/mol:	-141.33
Dipole, Da:	3.08
IP(EA), eV:	-9.0(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (NE)-N-[7-(difluoromethoxy)-4-oxo-5H-1,5-benzoxazepin-3-ylidene]carbamate

Drug info:

PubChemData

Smile

C[C@H](COC1=C(C=C(C=C1)C(=O)OC)N(C)C=O)NC(=O)C2=NOC(=C2)CC3=CC=CC=C3

DOS

IR

Vibrations