Geometry & MOs

Info

ID:	74196
PubChem CID:	48421573
Reduced:	SO3N5C17H21 (1)
Stoich.:	AB3C5D17E21 (1)
Weight, g/mol:	389.231456
ΔH_f, kcal/mol:	-32.67
Dipole, Da:	5.24
IP(EA), eV:	-9.28(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[cyclopropylmethyl-[[4-(2-methylpropanoylamino)phenyl]methylcarbamoyl]amino]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCN(CC1CC1)C(=O)NC2=NN=C(S2)C3=CC=CC=N3

DOS

IR

Vibrations