Geometry & MOs

Info

ID:	305504
PubChem CID:	124957852
Reduced:	O2N4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	331.102434
ΔH_f, kcal/mol:	-38.23
Dipole, Da:	1.3
IP(EA), eV:	-9.26(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-N-methyl-1-methylsulfonyl-4-(thiophen-3-ylmethyl)-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C(=O)C=C1)CC(=O)N2CCC[C@H]2CCC3=CC(=NC=C3)C

DOS

IR

Vibrations