Geometry & MOs

Info

ID:	330504
PubChem CID:	127247911
Reduced:	SO2N3C17H25 (1)
Stoich.:	AB2C3D17E25 (1)
Weight, g/mol:	337.21139
ΔH_f, kcal/mol:	-74.34
Dipole, Da:	2.18
IP(EA), eV:	-8.95(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,1-dimethyl-4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1CN(CCN(C1)C(=O)C2=CSC3=C2CCCC3)C

DOS

IR

Vibrations