Geometry & MOs

Info

ID:	56177
PubChem CID:	17422349
Reduced:	SN2O2C10H10 (2)
Stoich.:	AB2C2D10E10 (2)
Weight, g/mol:	385.200156
ΔH_f, kcal/mol:	-98.66
Dipole, Da:	4.69
IP(EA), eV:	-8.48(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-methoxy-4-[(Z)-(3-oxo-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-2-ylidene)methyl]phenoxy]-N-propan-2-ylacetamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)CC4=CC=CO4)SCC(=O)N5CCNC5=O

DOS

IR

Vibrations