Geometry & MOs

Info

ID:	148032
PubChem CID:	53787694
Reduced:	N2O5C27H44 (1)
Stoich.:	A2B5C27D44 (1)
Weight, g/mol:	411.168188
ΔH_f, kcal/mol:	-273.55
Dipole, Da:	3.34
IP(EA), eV:	-9.62(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(methylcarbamoyl)-4-phenyl-2-[(3,4,5-trimethoxyphenyl)methylidene]but-3-enoate

Drug info:

PubChemData

Smile

C1CCC(CC1)CCCCC(=O)NCC(=O)NCC2C3CCC(C2CC=CCCCC(=O)O)O3

DOS

IR

Vibrations