Geometry & MOs

Info

ID:	183849
PubChem CID:	77080798
Reduced:	O2N5C15H15 (1)
Stoich.:	A2B5C15D15 (1)
Weight, g/mol:	374.141262
ΔH_f, kcal/mol:	3.1
Dipole, Da:	2.47
IP(EA), eV:	-9.06(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(azepan-1-ylsulfonyl)-N-(pyrimidin-4-ylmethyl)benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C=C(C=N2)CCNC(=O)C3=CNC(=O)N3

DOS

IR

Vibrations