Geometry & MOs

Info

ID:	153230
PubChem CID:	56312391
Reduced:	SN4O4C21H26 (1)
Stoich.:	AB4C4D21E26 (1)
Weight, g/mol:	405.205242
ΔH_f, kcal/mol:	-127.39
Dipole, Da:	1.71
IP(EA), eV:	-8.66(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-pentan-3-yl-4-[(5-phenyl-1,3-oxazol-2-yl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)C1CN(C2=CC=CC=C2O1)CC(=O)NC3=C(C=CS3)C(=O)N

DOS

IR

Vibrations