Geometry & MOs

Info

ID:	306425
PubChem CID:	125011661
Reduced:	FO3N4C17H21 (1)
Stoich.:	AB3C4D17E21 (1)
Weight, g/mol:	307.156577
ΔH_f, kcal/mol:	-89.64
Dipole, Da:	4.58
IP(EA), eV:	-8.43(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-1-(2-methoxyethyl)-N,N-dimethyl-4-methylsulfonyl-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)C(=O)N(C)C[C@@]2(CCCN(C2)C3=NC=C(C=C3)F)O

DOS

IR

Vibrations