Geometry & MOs

Info

ID:	122863
PubChem CID:	50824678
Reduced:	ClFSN4O5H14C18 (1)
Stoich.:	ABCD4E5F14G18 (1)
Weight, g/mol:	410.081554
ΔH_f, kcal/mol:	-131.69
Dipole, Da:	4.12
IP(EA), eV:	-9.2(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-(2-methyl-5,8-dioxo-6,7-dihydro-1H-pyrazolo[1,5-a][1,3]diazepin-3-yl)-N-propylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CN2C(=O)COC3=C2C=C(C=C3)S(=O)(=O)NC4=C(C=C(C=C4)F)Cl

DOS

IR

Vibrations