Geometry & MOs

Info

ID:	164382
PubChem CID:	74393090
Reduced:	N7O7C31H45 (1)
Stoich.:	A7B7C31D45 (1)
Weight, g/mol:	386.231791
ΔH_f, kcal/mol:	-323.25
Dipole, Da:	11.19
IP(EA), eV:	-8.92(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-aminopropanoylamino)-N-benzyl-5-oxo-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC(CC1=CC(=C(C(=C1)C2C(=O)NC3CCCCC3N2)O)C4C(=O)NC5CCCCC5N4)C(=O)NC(C)C(=O)O)N

DOS

IR

Vibrations