Geometry & MOs

Info

ID:	355769
PubChem CID:	127290621
Reduced:	SN3O3C20H25 (1)
Stoich.:	AB3C3D20E25 (1)
Weight, g/mol:	386.130028
ΔH_f, kcal/mol:	-79.12
Dipole, Da:	7.52
IP(EA), eV:	-8.39(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]-7-phenyl-1,4-diazepan-5-one

Drug info:

PubChemData

Smile

CC1CC2=C(O1)C=CC(=C2)S(=O)(=O)NCC3=CC(=NC=C3)N4CCCCC4

DOS

IR

Vibrations