Geometry & MOs

Info

ID:	126550
PubChem CID:	50967638
Reduced:	SO2N5C17H19 (1)
Stoich.:	AB2C5D17E19 (1)
Weight, g/mol:	368.221226
ΔH_f, kcal/mol:	-15.57
Dipole, Da:	7.23
IP(EA), eV:	-8.94(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2R,6R)-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CN2C(=CSC2=N1)C(=O)N3CCC4=C(CC3)N=C(N(C4=O)C)C

DOS

IR

Vibrations