Geometry & MOs

Info

ID:	346215
PubChem CID:	127270706
Reduced:	S2N4O4C15H20 (1)
Stoich.:	A2B4C4D15E20 (1)
Weight, g/mol:	360.179755
ΔH_f, kcal/mol:	-115.57
Dipole, Da:	7.89
IP(EA), eV:	-8.97(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)C2CSCN2C(=O)C3=CC=CC=C3)S(=O)(=O)N

DOS

IR

Vibrations