Geometry & MOs

Info

ID:	363115
PubChem CID:	127310148
Reduced:	ClFO2N4C18H18 (1)
Stoich.:	ABC2D4E18F18 (1)
Weight, g/mol:	396.157974
ΔH_f, kcal/mol:	-56.77
Dipole, Da:	4.98
IP(EA), eV:	-9.1(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2-dimethyl-N-[2-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-2-oxoethyl]imidazole-4-sulfonamide

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC2CN(CCO2)C(=O)C3=C(C4=C(N3)C=CC(=C4)F)Cl

DOS

IR

Vibrations